Design 2 (in_vitro_vina_screening_interface)

Last modified:

Screening of over 300,000 in-vitro molecules based on predicted interface docking VINA results. The candidate set here is the "in-vitro" set from the ZINC database: https://zinc15.docking.org/substances/subsets/in-vitro/

Edit name and description

Design dataset: Smith_ORNL_AutoDock_VINA_simulations

i. Design configuration



ii. Candidate configuration



iii. Candidate screening